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Improvement of the Force Field for β-d-Glucose with Machine Learning

While the construction of a dependable force field for performing classical molecular dynamics (MD) simulation is crucial for elucidating the structure and function of biomolecular systems, the attempts to do this for glycans are relatively sparse compared to those for proteins and nucleic acids. Cu...

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Detalles Bibliográficos
Autores principales:	Ikejo, Makoto, Watanabe, Hirofumi, Shimamura, Kohei, Tanaka, Shigenori
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8588059/ https://www.ncbi.nlm.nih.gov/pubmed/34771103 http://dx.doi.org/10.3390/molecules26216691

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